2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine

C9H12BrNS — CID 81408877

IUPAC2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
SMILESC=C(Br)CN[C@H](C)c1cccs1
InChIInChI=1S/C9H12BrNS/c1-7(10)6-11-8(2)9-4-3-5-12-9/h3-5,8,11H,1,6H2,2H3/t8-/m1/s1
InChIKeyFOLXNSYQDNZATP-MRVPVSSYSA-N
MW246.17 g/mol
LogP3.31
Rot. Bonds4

About 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine

2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine (PubChem CID 81408877) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
PubChem CID81408877
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
SMILESC=C(Br)CN[C@H](C)c1cccs1
InChIInChI=1S/C9H12BrNS/c1-7(10)6-11-8(2)9-4-3-5-12-9/h3-5,8,11H,1,6H2,2H3/t8-/m1/s1
InChIKeyFOLXNSYQDNZATP-MRVPVSSYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoic acid
CID 103257806
ethyl 2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoate
CID 103257818
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
N-methyl-N-propan-2-yl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408875
(E)-3-methyl-4-(1-thiophen-2-ylethylamino)but-2-enoic acid
CID 103238692
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine (CID 81408877) is 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine is C=C(Br)CN[C@H](C)c1cccs1.
What is the InChIKey of 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
The InChIKey is FOLXNSYQDNZATP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-7(10)6-11-8(2)9-4-3-5-12-9/h3-5,8,11H,1,6H2,2H3/t8-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine has a molecular weight of 246.17 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine is sourced from PubChem (CID 81408877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).